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Journal Articles
- 2024
[j9]Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia
, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari:
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases. J. Cheminformatics 16(1): 21 (2024)- [j8]Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Giulio Vistoli, Thierry Langer, Filip Miljkovic, Johannes Kirchmair:
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. J. Chem. Inf. Model. 64(2): 348-358 (2024) - 2021
- [j7]Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Laura Fumagalli, Giulio Vistoli:
The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects. Bioinform. 37(8): 1174-1175 (2021) - 2019
- [j6]Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair:
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. J. Chem. Inf. Model. 59(8): 3400-3412 (2019) - 2018
- [j5]Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli:
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies. J. Chem. Inf. Model. 58(6): 1154-1160 (2018) - 2017
- [j4]Giulio Vistoli, Angelica Mazzolari, Bernard Testa, Alessandro Pedretti:
Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity. J. Chem. Inf. Model. 57(7): 1691-1702 (2017) - 2014
- [j3]Alessandro Di Domizio, Alessandro Vitriolo, Giulio Vistoli, Alessandro Pedretti:
SPILLO-PBSS: Detecting hidden binding sites within protein 3D-structures through a flexible structure-based approach. J. Comput. Chem. 35(27): 2005-2017 (2014) - 2010
- [j2]Giulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, Bernard Testa:
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0. J. Comput. Aided Mol. Des. 24(9): 771-787 (2010) - 2004
- [j1]Alessandro Pedretti, Luigi Villa, Giulio Vistoli:
VEGA - An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming. J. Comput. Aided Mol. Des. 18(3): 167-173 (2004)
Coauthor Index
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